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Experimental data for ONNO (NO dimer)

22 02 02 11 45
INChI INChIKey SMILES IUPAC name
InChI=1S/N2O2/c3-1-2-4 AZLYZRGJCVQKKK-UHFFFAOYSA-N O=NN=O
State Conformation
1A1 cis C2V
Enthalpy of formation (Hfg), Entropy, Integrated heat capacity (0 K to 298.15 K) (HH), Heat Capacity (Cp)
Property Value Uncertainty units Reference Comment
Information can also be found for this species in the NIST Chemistry Webbook
Vibrational levels (cm-1) vibrations
Mode Number Symmetry Frequency Intensity Comment Description
Fundamental(cm-1) Harmonic(cm-1) Reference (km mol-1) unc. Reference
1 A1 1868   webbook       NO sym str
2 A1 239           N..N stretch
3 A1 135           NNO sym bend
4 A2 117           torsion
5 B2 1789           NO asym str
6 B2 429           NNO asym bend

vibrational zero-point energy: 2288.7 cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for ONNO (NO dimer).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
0.86159 0.18728 0.15363 1983Kuc:80

Calculated rotational constants for ONNO (NO dimer).
Product of moments of inertia moments of inertia
193251.2amu3Å6   8.84891704982812E-115gm3 cm6
Geometric Data
picture of NO dimer

Point Group C2v


Internal coordinates
distances (r) in Å, angles (a) in degrees, dihedrals (d) in degrees
Description Value unc. Connectivity Reference Comment
Atom 1 Atom 2 Atom 3 Atom 4
rNO 1.161 0.004 1 3 1983Kuc:80
rNN 2.236 0.001 1 2 1983Kuc:80
aNNO 99.6 0.2 1 2 4 1983Kuc:80

Cartesians
Atom x (Å) y (Å) z (Å)
N1 0.0000 1.1180 0.6105
N2 0.0000 -1.1180 0.6105
O3 0.0000 1.3116 -0.5342
O4 0.0000 -1.3116 -0.5342

Atom - Atom Distances bond lengths
Distances in Å
  N1 N2 O3 O4
N1   2.23601.16102.6858
N2 2.2360   2.68581.1610
O3 1.16102.6858   2.6232
O4 2.68581.16102.6232  

Calculated geometries for ONNO (NO dimer).

Experimental Bond Angles (degrees) from cartesians bond angles

atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 N2 O4 99.600 N2 N1 O3 99.600

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
N-N 1
N=O 2

Connectivity
Atom 1 Atom 2
N1 N2
N1 O3
N2 O4
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 1   1A1
Dipole, Quadrupole and Polarizability
Electric dipole moment dipole
State Config State description Conf description Exp. min. Dipole (Debye) Reference comment Point Group Components
x y z total dipole quadrupole
1 1 1A1 cis C2V True           C2v 1 2
1 2 1Ag trans C2H False           C2h 0 3
1 3 1A C2 False           C2 1 3
Experimental dipole measurement abbreviations: MW microwave; DT Dielectric with Temperature variation; DR Indirect (usually an upper limit); MB Molecular beam
Calculated electric dipole moments for ONNO (NO dimer).
Electric quadrupole moment quadrupole
State Config State description Conf description Exp. min. Quadrupole (D Å) Reference comment Point Group Components
xx yy zz dipole quadrupole
1 1 1A1 cis C2V True       C2v 1 2
1 2 1Ag trans C2H False       C2h 0 3
1 3 1A C2 False       C2 1 3

Calculated electric quadrupole moments for ONNO (NO dimer).

References
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squib reference DOI
1983Kuc:80 SG Kuckolich "Structure and Quadrupole Coupling Measurements of the NO Dimer" J. Molecular Spectroscopy 98, 80-86 (1983) 10.1016/0022-2852(83)90204-7
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry) 10.18434/T4D303

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